4-azanyl-5-chloranyl-2-ethoxy-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]benzamide

Systemtic Name: 4-azanyl-5-chloranyl-2-ethoxy-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]benzamide Openeye Name: 4-amino-N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-chloro-2-ethoxy-benzamide CAS Name: 4-amino-5-chloro-2-ethoxy-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]benzamide IUPAC Name: 4-amino-N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-chloro-2-ethoxybenzamide Traditional Name: 4-amino-N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-chloro-2-ethoxy-benzamide Formula: C22H29ClN4O2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)NC2CN(CCN(C2)CC3=CC=CC=C3)C)Cl)N

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)NC2CN(CCN(C2)CC3=CC=CC=C3)C)Cl)N

InChI

InChI=1S/C22H29ClN4O2/c1-3-29-21-12-20(24)19(23)11-18(21)22(28)25-17-14-26(2)9-10-27(15-17)13-16-7-5-4-6-8-16/h4-8,11-12,17H,3,9-10,13-15,24H2,1-2H3,(H,25,28)